Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SRD5A2 | P31213 | 1/20 | 0.35 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.35 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | DAO | P14920 | 1/20 | 0.33 |
| ▸ | RET | P07949 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | KDR | P35968 | 1/20 | 0.32 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL13687805 | 0.82 | IDO1 (0.46) | SRD5A2TSHRMAPK1TDP1IDO1 | |
| SCHEMBL20412549 | 0.82 | IDO1 (0.46) | SRD5A2TSHRMAPK1TDP1IDO1 | |
| SCHEMBL17070542 | 0.79 | ESR1 (0.41) | TSHRMAPK1TDP1ESR1ESR2 | |
| SCHEMBL12228215 | 0.76 | — | — | |
| SCHEMBL16383178 | 0.74 | ACHE (0.52) | MAPK1MAPTCNR2LTA4H | |
| Hydrochloric Acid SCHEMBL2033072 | 0.73 | IDO1 (0.50) | TDP1IDO1CA2MAPTCYP1A2 | |
| SCHEMBL19887713 | 0.72 | RET (0.40) | SRD5A2PDE3BPDE3ASLC6A4IDO1 | |
| SCHEMBL14944788 | 0.71 | — | — | |
| SCHEMBL15071844 | 0.71 | ALDH1A1 (0.47) | TSHRMAPK1SMN1; SMN2TDP1ESR1 | |
| SCHEMBL1149394 | 0.71 | IDO1 (0.58) | SRD5A2TSHRMAPK1TDP1IDO1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20180057743-A1 | LIQUID-CRYSTALLINE MEDIA HAVING HOMEOTROPIC ALIGNMENT | MERCK PATENT GMBH (DE) | 2018-03-01 | — | — | US | disclosed |
| US-9809748-B2 | Liquid-crystalline media having homeotropic alignment | MERCK PATENT GMBH (DE) | 2017-11-07 | — | — | US | disclosed |
| US-20150252265-A1 | LIQUID-CRYSTALLINE MEDIA HAVING HOMEOTROPIC ALIGNMENT | MERCK PATENT GMBH (DE) | 2015-09-10 | — | — | US | disclosed |